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Fluorine in PDB 5wh5: Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
Enzymatic activity of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
All present enzymatic activity of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91:
3.1.4.53;
3.1.4.53;
Protein crystallography data
The structure of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91, PDB code: 5wh5
was solved by
H.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.00 / 1.80 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 59.467, 79.883, 163.444, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.3 / 21.4 |
Other elements in 5wh5:
The structure of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91 also contains other interesting chemical elements:
| Magnesium | (Mg) | 3 atoms |
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
(pdb code 5wh5). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91, PDB code: 5wh5:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91, PDB code: 5wh5:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5wh5
Go back to
Fluorine Binding Sites List in 5wh5
Fluorine binding site 1 out
of 4 in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5wh5
Go back to
Fluorine Binding Sites List in 5wh5
Fluorine binding site 2 out
of 4 in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5wh5
Go back to
Fluorine Binding Sites List in 5wh5
Fluorine binding site 3 out
of 4 in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5wh5
Go back to
Fluorine Binding Sites List in 5wh5
Fluorine binding site 4 out
of 4 in the Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of the PDE4D2 Catalytic Domain in Complex with Inhibitor (R)-Zl-N-91 within 5.0Å range:
|
Reference:
X.Feng,
H.Wang,
M.Ye,
X.T.Xu,
Y.Xu,
W.Yang,
H.T.Zhang,
G.Song,
H.Ke.
Identification of A PDE4-Specific Pocket For the Design of Selective Inhibitors. Biochemistry V. 57 4518 2018.
ISSN: ISSN 0006-2960
PubMed: 29975048
DOI: 10.1021/ACS.BIOCHEM.8B00336
Page generated: Thu Aug 1 16:40:22 2024
ISSN: ISSN 0006-2960
PubMed: 29975048
DOI: 10.1021/ACS.BIOCHEM.8B00336
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